6-[3-(3-methoxyphenyl)propanoyl]-3h-1,3-benzoxazol-2-one (CHEM301999)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 23:50:14 UTC | ||||||||
| Update Date | 2026-08-28 23:50:14 UTC | ||||||||
| Accession Number | CHEM301999 | ||||||||
| Identification | |||||||||
| Common Name | 6-[3-(3-methoxyphenyl)propanoyl]-3h-1,3-benzoxazol-2-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 6-[3-(3-methoxyphenyl)propanoyl]-3h-1,3-benzoxazol-2-one belongs to the chalcones and dihydrochalcones, a subclass of linear 1,3-diarylpropanoids within the organic compounds. It is categorized under the superclass of phenylpropanoids and polyketides. The compound has the formula C17H15NO4 and an average molecular weight of 297.30 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H15NO4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 297.100 g/mol | ||||||||
| CAS Registry Number | 54903-35-4 | ||||||||
| IUPAC Name | 6-[3-(3-methoxyphenyl)propanoyl]-3h-1,3-benzoxazol-2-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=CC=CC(=C1)CCC(=O)C2=CC3=C(C=C2)NC(=O)O3 | ||||||||
| InChI Identifier | InChI=1S/C17H15NO4/c1-21-13-4-2-3-11(9-13)5-8-15(19)12-6-7-14-16(10-12)22-17(20)18-14/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,20) | ||||||||
| InChI Key | BPVRTDZLSWXXPC-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
